orbital_charges     :real:2:4,3
  0.191519810407725E+001  0.147983017393594E+001  0.152369223496317E+001
  0.200000000000000E+001  0.298568982641950E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.782710504381699E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.121351322219386E+000  0.112576808081862E+000  0.114775734251634E-002
 -0.605555009093071E+000  0.193067382559773E+000 -0.322819624958928E+000
 -0.371736327410764E-001 -0.864202269305727E-001  0.690943824768193E-001
forces_ext_charges  :real:2:3,5
  0.191388713455329E-003  0.103490735253218E-002 -0.279128637496209E-003
  0.661844431695867E-003  0.110356256357324E-002  0.119572848224214E-003
  0.403952485243211E+000 -0.294466501710994E+000  0.221491109602609E+000
  0.808631463416111E-001  0.527146961466581E-001  0.170741494761912E-001
  0.357084548847882E-001  0.203893719371677E-001  0.141717818500641E-001
mermin_energy       :real:0:
 -0.416293354673060E+001
end_coords          :real:2:3,3
  0.000000000000000E+000 -0.188972598857892E+001  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.147977639152057E+001
  0.000000000000000E+000  0.000000000000000E+000 -0.147977639152057E+001
